Information card for entry 7224665

Structure parameters

• Formula: C24 H24 Cl4.5 N1.5 O3
• Calculated formula: C24 H24 Cl4.5 N1.5 O3
• Title of publication: Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material
• Authors of publication: Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 3606
• a: 27.9771 ± 0.001 Å
• b: 17.8261 ± 0.0007 Å
• c: 10.0751 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5024.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No